General Information of the Compound
| Compound ID |
CP0543427
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| Compound Name |
2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide
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| Structure |
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| Formula |
C30H33Cl2N3O2S
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| Molecular Weight |
570.586
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| Canonical SMILES |
CN(Cc1ccsc1)C(=O)C1(CC1CN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C30H33Cl2N3O2S/c1-21(36)33-29(23-6-4-3-5-7-23)11-13-35(14-12-29)19-25-17-30(25,24-8-9-26(31)27(32)16-24)28(37)34(2)18-22-10-15-38-20-22/h3-10,15-16,20,25H,11-14,17-19H2,1-2H3,(H,33,36)
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| InChIKey |
TVOHRYCZUZVYDP-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound